General Information of the Compound
| Compound ID |
CP0398310
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| Compound Name |
6-[(4-bromonaphthalen-1-yl)methyl]-5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one
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| Structure |
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| Formula |
C25H28BrN3O2S
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| Molecular Weight |
514.489
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| Canonical SMILES |
CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(Br)c4ccccc34)cc12
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| InChI |
InChI=1S/C25H28BrN3O2S/c1-16(2)13-22-20-15-29(14-17-9-10-21(26)19-8-5-4-7-18(17)19)25(32-12-6-11-30)23(20)24(31)28(3)27-22/h4-5,7-10,15-16,30H,6,11-14H2,1-3H3
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| InChIKey |
YCYDUTCGYOKSNL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound